2-cyclohexyl-N-[(4S,5R,6R,7S)-7-[(2-cyclohexylacetyl)amino]-5,6-dihydroxy-2,9-dimethyldecan-4-yl]acetamide

C28H52N2O4 — CID 45272786

IUPAC2-cyclohexyl-N-[(4S,5R,6R,7S)-7-[(2-cyclohexylacetyl)amino]-5,6-dihydroxy-2,9-dimethyldecan-4-yl]acetamide
SMILESCC(C)C[C@H](NC(=O)CC1CCCCC1)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)CC1CCCCC1
InChIInChI=1S/C28H52N2O4/c1-19(2)15-23(29-25(31)17-21-11-7-5-8-12-21)27(33)28(34)24(16-20(3)4)30-26(32)18-22-13-9-6-10-14-22/h19-24,27-28,33-34H,5-18H2,1-4H3,(H,29,31)(H,30,32)/t23-,24-,27+,28+/m0/s1
InChIKeyIBRXADXIBGLHBF-KBJUPQRZSA-N
MW480.73 g/mol
LogP4.71
Rot. Bonds13

About 2-cyclohexyl-N-[(4S,5R,6R,7S)-7-[(2-cyclohexylacetyl)amino]-5,6-dihydroxy-2,9-dimethyldecan-4-yl]acetamide

2-cyclohexyl-N-[(4S,5R,6R,7S)-7-[(2-cyclohexylacetyl)amino]-5,6-dihydroxy-2,9-dimethyldecan-4-yl]acetamide (PubChem CID 45272786) has the molecular formula C28H52N2O4 and a molecular weight of 480.73 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(4S,5R,6R,7S)-7-[(2-cyclohexylacetyl)amino]-5,6-dihydroxy-2,9-dimethyldecan-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(4S,5R,6R,7S)-7-[(2-cyclohexylacetyl)amino]-5,6-dihydroxy-2,9-dimethyldecan-4-yl]acetamide
PubChem CID45272786
Molecular FormulaC28H52N2O4
Molecular Weight480.73 g/mol
Exact Mass480.39
IUPAC Name2-cyclohexyl-N-[(4S,5R,6R,7S)-7-[(2-cyclohexylacetyl)amino]-5,6-dihydroxy-2,9-dimethyldecan-4-yl]acetamide
SMILESCC(C)C[C@H](NC(=O)CC1CCCCC1)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)CC1CCCCC1
InChIInChI=1S/C28H52N2O4/c1-19(2)15-23(29-25(31)17-21-11-7-5-8-12-21)27(33)28(34)24(16-20(3)4)30-26(32)18-22-13-9-6-10-14-22/h19-24,27-28,33-34H,5-18H2,1-4H3,(H,29,31)(H,30,32)/t23-,24-,27+,28+/m0/s1
InChIKeyIBRXADXIBGLHBF-KBJUPQRZSA-N
XLogP4.71
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.73
LogP ≤ 54.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(4S,5R,6R,7S)-7-[(2-cyclohexylacetyl)amino]-5,6-dihydroxy-2,9-dimethyldecan-4-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[(4S,5R,6R,7S)-7-[(2-cyclohexylacetyl)amino]-5,6-dihydroxy-2,9-dimethyldecan-4-yl]acetamide (CID 45272786) is 2-cyclohexyl-N-[(4S,5R,6R,7S)-7-[(2-cyclohexylacetyl)amino]-5,6-dihydroxy-2,9-dimethyldecan-4-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[(4S,5R,6R,7S)-7-[(2-cyclohexylacetyl)amino]-5,6-dihydroxy-2,9-dimethyldecan-4-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[(4S,5R,6R,7S)-7-[(2-cyclohexylacetyl)amino]-5,6-dihydroxy-2,9-dimethyldecan-4-yl]acetamide is CC(C)C[C@H](NC(=O)CC1CCCCC1)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[(4S,5R,6R,7S)-7-[(2-cyclohexylacetyl)amino]-5,6-dihydroxy-2,9-dimethyldecan-4-yl]acetamide?
The InChIKey is IBRXADXIBGLHBF-KBJUPQRZSA-N. The full InChI is InChI=1S/C28H52N2O4/c1-19(2)15-23(29-25(31)17-21-11-7-5-8-12-21)27(33)28(34)24(16-20(3)4)30-26(32)18-22-13-9-6-10-14-22/h19-24,27-28,33-34H,5-18H2,1-4H3,(H,29,31)(H,30,32)/t23-,24-,27+,28+/m0/s1.
What are the key properties of 2-cyclohexyl-N-[(4S,5R,6R,7S)-7-[(2-cyclohexylacetyl)amino]-5,6-dihydroxy-2,9-dimethyldecan-4-yl]acetamide?
2-cyclohexyl-N-[(4S,5R,6R,7S)-7-[(2-cyclohexylacetyl)amino]-5,6-dihydroxy-2,9-dimethyldecan-4-yl]acetamide has a molecular weight of 480.73 g/mol, XLogP of 4.71, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(4S,5R,6R,7S)-7-[(2-cyclohexylacetyl)amino]-5,6-dihydroxy-2,9-dimethyldecan-4-yl]acetamide is sourced from PubChem (CID 45272786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).